[4-(phenylsulfonylaminocarbamothioylamino)phenyl]sulfonyl-pyrimidin-2-yl-azanide

Systemtic Name: [4-(phenylsulfonylaminocarbamothioylamino)phenyl]sulfonyl-pyrimidin-2-yl-azanide Openeye Name: [4-(benzenesulfonamidocarbamothioylamino)phenyl]sulfonyl-pyrimidin-2-yl-azanide CAS Name: [4-[[(benzenesulfonylhydrazo)-sulfanylidenemethyl]amino]phenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: [4-(benzenesulfonamidocarbamothioylamino)phenyl]sulfonyl-pyrimidin-2-ylazanide Traditional Name: [4-(benzenesulfonamidothiocarbamoylamino)phenyl]sulfonyl-(2-pyrimidyl)azanide Formula: C17H15N6O4S3- MolecularWeight: 463.5338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NC=CC=N3

InChI

InChI=1S/C17H16N6O4S3/c24-29(25,22-16-18-11-4-12-19-16)15-9-7-13(8-10-15)20-17(28)21-23-30(26,27)14-5-2-1-3-6-14/h1-12,23H,(H3,18,19,20,21,22,28)/p-1